2-[(4-propan-2-ylphenyl)methyl]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[(4-propan-2-ylphenyl)methyl]-3-sulfanyl-propanoic acid Openeye Name: 2-[(4-isopropylphenyl)methyl]-3-sulfanyl-propanoic acid CAS Name: 2-(mercaptomethyl)-3-(4-propan-2-ylphenyl)propanoic acid IUPAC Name: 2-[(4-propan-2-ylphenyl)methyl]-3-sulfanylpropanoic acid Traditional Name: 2-(4-isopropylbenzyl)-3-mercapto-propionic acid Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CC(CS)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CC(CS)C(=O)O

InChI

InChI=1S/C13H18O2S/c1-9(2)11-5-3-10(4-6-11)7-12(8-16)13(14)15/h3-6,9,12,16H,7-8H2,1-2H3,(H,14,15)